iterations/neb0_image07_iter29_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.4712230000000019 0.5774442199999967 0.4234647999999979
0.6378947400000001 0.6410400400000000 0.5537468699999977
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0.6117028700000020 0.6259662599999984 0.3019962799999973
0.5487770100000020 0.5748966499999995 0.5628869199999968
0.5306201699999988 0.5412372899999980 0.4583206900000008
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0.5910329599999997 0.8270276499999980 0.4515488700000034
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0.6121531399999967 0.2210657899999973 0.3627712199999991
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